CID 76634

3169-26-4

Structural Information

Molecular Formula
C6H7N3S2
SMILES
C1CSC2=C(S1)C(=NC2=N)N
InChI
InChI=1S/C6H7N3S2/c7-5-3-4(6(8)9-5)11-2-1-10-3/h1-2H2,(H3,7,8,9)
InChIKey
XTFKKPTYHWLGMD-UHFFFAOYSA-N
Compound name
5-imino-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

185.00813 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.015406 131.3
[M+Na]+ 207.997348 140.6
[M-H]- 184.000854 134.0
[M+NH4]+ 203.041953 152.8
[M+K]+ 223.971288 135.8
[M+H-H2O]+ 168.005390 126.2
[M+HCOO]- 230.006331 143.9
[M+CH3COO]- 244.021981 144.0
[M+Na-2H]- 205.982796 133.7
[M]+ 185.00758142 128.8
[M]- 185.00867858 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe